Geometry & MOs

Info

ID:	420099
PubChem CID:	135111138
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	374.114568
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	5.8
IP(EA), eV:	-9.22(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations