Geometry & MOs

Info

ID:	157738
PubChem CID:	56436877
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	378.116877
ΔH_f, kcal/mol:	-141.42
Dipole, Da:	4.34
IP(EA), eV:	-9.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCCN(CC2)C(=O)CNC(=O)CCC(C)C

DOS

IR

Vibrations