Geometry & MOs

Info

ID:	363442
PubChem CID:	127311245
Reduced:	N2O3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-177.52
Dipole, Da:	4.98
IP(EA), eV:	-9.44(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2CCCCC2C(=O)N3CCCC3

DOS

IR

Vibrations