Geometry & MOs

Info

ID:	448291
PubChem CID:	135289940
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	3.96
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-2-(3-methoxy-4-prop-2-ynoxyphenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=C(C=CC(=C2OC)OCC#C)/C=C/C(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations