Geometry & MOs

Info

ID:	273763
PubChem CID:	103799571
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	297.155178
ΔH_f, kcal/mol:	-156.95
Dipole, Da:	2.1
IP(EA), eV:	-9.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations