Geometry & MOs

Info

ID:

423088

PubChem CID:

135118917

Reduced:

O5N7C34H43 (1)

Stoich.:

A5B7C34D43 (1)

Weight, g/mol:

300.169859

ΔHf, kcal/mol:

-159.0

Dipole, Da:

6.88

IP(EA), eV:

 -9.65(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=NC=CN4

DOS

IR

Vibrations