Geometry & MOs

Info

ID:	152268
PubChem CID:	56311164
Reduced:	FON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	355.205991
ΔH_f, kcal/mol:	-47.75
Dipole, Da:	3.09
IP(EA), eV:	-8.48(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations