Geometry & MOs

Info

ID:	448369
PubChem CID:	135290451
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	6.63
IP(EA), eV:	-8.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[2-(1-methylimidazol-4-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=C(C=C2)C3CC3C(=O)NC4=CC=C(C=C4)C#N)OC

DOS

IR

Vibrations