Geometry & MOs

Info

ID:	126225
PubChem CID:	50955907
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	2.46
IP(EA), eV:	-8.82(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N)C2=CC(=CC=C2)O

DOS

IR

Vibrations