Geometry & MOs

Info

ID:	236176
PubChem CID:	92711840
Reduced:	OSN4C25H28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	29.3
Dipole, Da:	6.98
IP(EA), eV:	-8.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=NN(C4=C3CSC5=C4C=C(C=C5)C)C

DOS

IR

Vibrations