Geometry & MOs

Info

ID:	152262
PubChem CID:	56311157
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	446.305705
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	6.72
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations