Geometry & MOs

Info

ID:	126011
PubChem CID:	50948353
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	4.99
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CSC=C1)C(=O)C2CC(=O)N(C2)CC3=CC=NC=C3

DOS

IR

Vibrations