Geometry & MOs

Info

ID:	156463
PubChem CID:	56370732
Reduced:	SN2O2C20H30 (1)
Stoich.:	AB2C2D20E30 (1)
Weight, g/mol:	475.228263
ΔH_f, kcal/mol:	-94.86
Dipole, Da:	2.27
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)CCC(=O)NC2CCN(C2)C3CCCCCC3

DOS

IR

Vibrations