Geometry & MOs

Info

ID:	75184
PubChem CID:	48423135
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	311.257277
ΔH_f, kcal/mol:	-123.8
Dipole, Da:	2.12
IP(EA), eV:	-8.51(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[4-(4-ethylpiperazin-1-yl)butyl]propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations