Geometry & MOs

Info

ID:	152954
PubChem CID:	56312053
Reduced:	FON4C25H33 (1)
Stoich.:	ABC4D25E33 (1)
Weight, g/mol:	383.237291
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	4.75
IP(EA), eV:	-8.07(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NCC2CCN(C2)C3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations