Geometry & MOs

Info

ID:	268516
PubChem CID:	103599711
Reduced:	O3N4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-107.67
Dipole, Da:	4.16
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-morpholin-4-ylbutan-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2CCCO2)C)C=C(C#N)C(=O)N[C@@H](C(C)C)C(=O)N3CCCC3

DOS

IR

Vibrations