Geometry & MOs

Info

ID:	340555
PubChem CID:	127262566
Reduced:	PN2O2H25C30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	315.01201
ΔH_f, kcal/mol:	40.54
Dipole, Da:	4.19
IP(EA), eV:	-8.48(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-iodo-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=C(C=C2)OC3=CC=CC(=C3)N)C4=CC=C(C=C4)OC5=CC=CC(=C5)N

DOS

IR

Vibrations