Geometry & MOs

Info

ID:	448290
PubChem CID:	135289939
Reduced:	N3O4H25C27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-10.61
Dipole, Da:	1.34
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-cyanophenyl)-3-[3-methoxy-2-(1-methylpiperidin-4-yl)oxy-4-prop-2-ynoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=NC=C3)OCC#C

DOS

IR

Vibrations