Geometry & MOs

Info

ID:	126777
PubChem CID:	50978111
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	4.07
IP(EA), eV:	-9.03(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN2C[C@@H]3CN(C[C@@]3(C2)C(=O)O)C(=O)C4CC4

DOS

IR

Vibrations