Geometry & MOs

Info

ID:	235564
PubChem CID:	92710044
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	4.02
IP(EA), eV:	-9.36(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-cyclohexyl-1-(2,4-dimethoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NNC(=O)C1=NC2=CC=CC=C2C=C1)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O

DOS

IR

Vibrations