Geometry & MOs

Info

ID:	344026
PubChem CID:	127267202
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	303.083076
ΔH_f, kcal/mol:	4.34
Dipole, Da:	3.84
IP(EA), eV:	-8.86(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-nitrophenyl)-3-(trifluoromethyl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C#C)NC(=O)NC1=C(C=CC=C1C)C

DOS

IR

Vibrations