Geometry & MOs

Info

ID:	309936
PubChem CID:	126568390
Reduced:	SO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	32.34
Dipole, Da:	3.22
IP(EA), eV:	-8.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)NC(=O)/C=C/C3=C(C=CN=C3)C4=CC=NS4

DOS

IR

Vibrations