Geometry & MOs

Info

ID:	199446
PubChem CID:	79247073
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	248.113648
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	8.55
IP(EA), eV:	-9.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[4-(trifluoromethyl)pyridin-2-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations