Geometry & MOs

Info

ID:	152049
PubChem CID:	56310900
Reduced:	SN4O5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-173.35
Dipole, Da:	2.98
IP(EA), eV:	-9.26(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-nitrophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C(=O)OCCOC)C)C(=O)N3

DOS

IR

Vibrations