Geometry & MOs

Info

ID:	448368
PubChem CID:	135290428
Reduced:	N2O5C22H24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-142.49
Dipole, Da:	2.59
IP(EA), eV:	-8.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3C(=O)O)OC

DOS

IR

Vibrations