Geometry & MOs

Info

ID:	443614
PubChem CID:	135259514
Reduced:	SO3N4C20H24 (2)
Stoich.:	AB3C4D20E24 (2)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-177.42
Dipole, Da:	4.19
IP(EA), eV:	-8.61(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[4-(3-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(S4)C=C(S5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations