Geometry & MOs

Info

ID:	75179
PubChem CID:	48423130
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	311.257277
ΔH_f, kcal/mol:	-126.34
Dipole, Da:	1.7
IP(EA), eV:	-8.26(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)N2CCN(CC2)C

DOS

IR

Vibrations