Geometry & MOs

Info

ID:	28837
PubChem CID:	829963
Reduced:	NF3O3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-246.46
Dipole, Da:	6.94
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[2-methyl-4-(4-nitrophenyl)imidazol-1-yl]aniline

Drug info:

PubChemData

Smile

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations