Geometry & MOs

Info

ID:	166245
PubChem CID:	74656423
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	471.263425
ΔH_f, kcal/mol:	-150.11
Dipole, Da:	1.76
IP(EA), eV:	-8.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=CC(=O)NCC2(CCCCC2)N3CCOCC3

DOS

IR

Vibrations