Geometry & MOs

Info

ID:	368032
PubChem CID:	127326628
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	-14.15
Dipole, Da:	1.37
IP(EA), eV:	-8.7(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-4-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2=CC=C(C=C2)NC(=O)NC3CCN(CC3)CC4CCCC4

DOS

IR

Vibrations