Geometry & MOs

Info

ID:	374161
PubChem CID:	131324675
Reduced:	IN2O3H7C8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	235.098412
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	8.58
IP(EA), eV:	-9.62(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(difluoromethyl)-2,5-difluorophenyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1)N)I)[N+](=O)[O-]

DOS

IR

Vibrations