Geometry & MOs

Info

ID:	236177
PubChem CID:	92711843
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	0.76
Dipole, Da:	8.02
IP(EA), eV:	-9.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C1=NN2CCCN(C(=O)C2=C1)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations