Geometry & MOs

Info

ID:	360629
PubChem CID:	127301274
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	365.24269
ΔH_f, kcal/mol:	-92.31
Dipole, Da:	6.13
IP(EA), eV:	-8.84(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylcarbamoyl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations