Geometry & MOs

Info

ID:	334400
PubChem CID:	127252952
Reduced:	N3O5H29C31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	299.101839
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	4.24
IP(EA), eV:	-8.31(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-pyrazol-5-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC(=O)N5CCCCC5C6=CN=CC=C6)OC

DOS

IR

Vibrations