Geometry & MOs

Info

ID:

312316

PubChem CID:

126604258

Reduced:

O3N6C29H40 (1)

Stoich.:

A3B6C29D40 (1)

Weight, g/mol:

548.311104

ΔHf, kcal/mol:

-67.34

Dipole, Da:

7.65

IP(EA), eV:

 -8.34(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-4-[5-[[2-hydroxy-1-(oxan-4-yl)ethyl]amino]-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CCOCC4)NC(CO)C(C)(C)C)C(=O)NC5CC5

DOS

IR

Vibrations