Geometry & MOs

Info

ID:	73635
PubChem CID:	48419554
Reduced:	SN4O5C18H26 (1)
Stoich.:	AB4C5D18E26 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	10.86
IP(EA), eV:	-8.77(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(3-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCC(CC1)NC(=O)CS(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations