Geometry & MOs

Info

ID:	336563
PubChem CID:	127255570
Reduced:	Cl2F3O3N7C28H30 (1)
Stoich.:	A2B3C3D7E28F30 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	-226.88
Dipole, Da:	7.4
IP(EA), eV:	-8.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxycyclohexyl)-2,4-dimethyl-N-phenylaniline

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CCCl)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)CCCl)C(F)(F)F

DOS

IR

Vibrations