Geometry & MOs

Info

ID:	30612
PubChem CID:	841571
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	-101.14
Dipole, Da:	3.22
IP(EA), eV:	-9.07(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)NC2CCCCCC2)Cl

DOS

IR

Vibrations