Geometry & MOs

Info

ID:	157776
PubChem CID:	56437129
Reduced:	Cl2N3O4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	363.232205
ΔH_f, kcal/mol:	-174.95
Dipole, Da:	1.41
IP(EA), eV:	-9.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations