Geometry & MOs

Info

ID:	322426
PubChem CID:	126670108
Reduced:	O2N3C28H43 (1)
Stoich.:	A2B3C28D43 (1)
Weight, g/mol:	320.168877
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	4.94
IP(EA), eV:	-8.64(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)methyl]-3-(2-fluorophenyl)-N,5-dimethylaniline

Drug info:

PubChemData

Smile

C[C@@H]1NC(C(=O)N1/N=C/2\CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CCC3=C2)C(=O)C)C)C)C(C)C

DOS

IR

Vibrations