Geometry & MOs

Info

ID:	282550
PubChem CID:	103930569
Reduced:	BrClN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	8.82
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminophenyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC2=CC(=C(N=C2)Cl)Br

DOS

IR

Vibrations