Geometry & MOs

Info

ID:	360355
PubChem CID:	127300998
Reduced:	O3N7C19H25 (1)
Stoich.:	A3B7C19D25 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-88.42
Dipole, Da:	9.26
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)CCC3=NC4=C(N3)C(=O)NC(=O)N4C

DOS

IR

Vibrations