Geometry & MOs

Info

ID:	142432
PubChem CID:	53033333
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	4.43
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(3-methylphenyl)-2-(4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3N=C4CCCC4C2=O

DOS

IR

Vibrations