Geometry & MOs

Info

ID:	171300
PubChem CID:	75356428
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	367.13322
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	5.69
IP(EA), eV:	-10.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-2-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C(CC1)NC(=O)C2=CN=CC=C2)C(=O)O

DOS

IR

Vibrations