Geometry & MOs

Info

ID:	177904
PubChem CID:	76250422
Reduced:	O3N6C20H28 (1)
Stoich.:	A3B6C20D28 (1)
Weight, g/mol:	429.162332
ΔH_f, kcal/mol:	-68.94
Dipole, Da:	4.85
IP(EA), eV:	-8.42(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(dimethylamino)pyridin-3-yl]methyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CCC(=O)NCC2=CN=C(C=C2)N(C)C)N3CCOCC3

DOS

IR

Vibrations