Geometry & MOs

Info

ID:

297054

PubChem CID:

117607340

Reduced:

N3O3C24H26 (2)

Stoich.:

A3B3C24D26 (2)

Weight, g/mol:

386.206639

ΔHf, kcal/mol:

-83.75

Dipole, Da:

10.51

IP(EA), eV:

 -8.08(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-(3-amino-4-butoxypyrazolo[4,3-c]pyridin-1-yl)-4-(cyanomethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OCCCCCOC3=C(C=C4C(=C3)N=C[C@@H]5CC(=CN5C4=O)C6=CC=C(C=C6)N)OC)N=C[C@@H]7CC(=CN7C2=O)C8=CC=C(C=C8)OCCCN(C)C

DOS

IR

Vibrations