Geometry & MOs

Info

ID:	202363
PubChem CID:	79663397
Reduced:	FN3O3C14H20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	302.160598
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	6.97
IP(EA), eV:	-9.63(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC(C)(C)CN)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

DOS

IR

Vibrations