Geometry & MOs

Info

ID:	266676
PubChem CID:	103578912
Reduced:	ClN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	7.08
Dipole, Da:	4.72
IP(EA), eV:	-10.28(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-1-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C(=CC=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations