Geometry & MOs

Info

ID:	75871
PubChem CID:	48424092
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	2.35
IP(EA), eV:	-8.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)CN2CCN(CC2)C

DOS

IR

Vibrations