Geometry & MOs

Info

ID:	152952
PubChem CID:	56312051
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	405.202797
ΔH_f, kcal/mol:	-61.99
Dipole, Da:	2.14
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-difluorophenyl)ethyl]-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations