Geometry & MOs

Info

ID:	178630
PubChem CID:	76358533
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	457.192546
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	6.05
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-pyrimidin-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C=CC2=CC3=C(C(=C2)OC)OCCO3)C4=NC=CC=N4

DOS

IR

Vibrations