Geometry & MOs

Info

ID:	360208
PubChem CID:	127300851
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	381.227709
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	3.24
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations