Geometry & MOs

Info

ID:	268096
PubChem CID:	103597811
Reduced:	FN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-115.63
Dipole, Da:	7.14
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxy-5-methylphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CNC(=O)CC1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations