Geometry & MOs

Info

ID:	152057
PubChem CID:	56310908
Reduced:	FON5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	460.227454
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	3.14
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]-N-phenylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations