Geometry & MOs

Info

ID:	338859
PubChem CID:	127259870
Reduced:	OSC16H24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	3.07
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-diethyl-N-(3-nitropyridin-4-yl)-2-phenylethanimidamide

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=S)CC1=CC=CC=C1

DOS

IR

Vibrations