Geometry & MOs

Info

ID:	145374
PubChem CID:	53512609
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	13.05
Dipole, Da:	5.74
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=CC=C2)OCCN3C=NC=N3

DOS

IR

Vibrations