Geometry & MOs

Info

ID:	175135
PubChem CID:	75859272
Reduced:	O3N5C26H43 (1)
Stoich.:	A3B5C26D43 (1)
Weight, g/mol:	460.208611
ΔH_f, kcal/mol:	-159.83
Dipole, Da:	6.48
IP(EA), eV:	-9.16(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC)C(=O)CNC(C2=CC=C(C=C2)C(C)CC)C(C)C)N

DOS

IR

Vibrations