Geometry & MOs

Info

ID:	390863
PubChem CID:	135001321
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	265.123342
ΔH_f, kcal/mol:	-167.84
Dipole, Da:	2.97
IP(EA), eV:	-8.88(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(E)-2-cyclohexylethenyl]-5-methoxyaniline

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C(=O)C[C@H](C(C)C)S

DOS

IR

Vibrations