Geometry & MOs

Info

ID:	196576
PubChem CID:	78848900
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-123.55
Dipole, Da:	7.06
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[4-(1-phenylethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCCN(CC3)C(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations