Geometry & MOs

Info

ID:	148706
PubChem CID:	53788375
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	378.119127
ΔH_f, kcal/mol:	-20.59
Dipole, Da:	4.38
IP(EA), eV:	-8.05(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-hydroxy-4-methyl-2H-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)N1CC=C(N=C1N2CCCC2)N3CCCC3

DOS

IR

Vibrations