Geometry & MOs

Info

ID:	279581
PubChem CID:	103844388
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	310.105975
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	5.02
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CO

DOS

IR

Vibrations