Geometry & MOs

Info

ID:	360356
PubChem CID:	127300999
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-68.25
Dipole, Da:	4.58
IP(EA), eV:	-8.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3=C(C=C4CCCCC4=C3)O

DOS

IR

Vibrations