Geometry & MOs

Info

ID:	366531
PubChem CID:	127320047
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-14.74
Dipole, Da:	4.99
IP(EA), eV:	-8.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpiperidin-4-yl)-2-imidazol-1-yl-5-methylbenzamide

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)N2CCC3=C(C2)C4=CC=CC=C4N3)C5=CN=CC=C5

DOS

IR

Vibrations