Geometry & MOs

Info

ID:	235665
PubChem CID:	92710348
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-98.82
Dipole, Da:	4.35
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-cyclohexyl-1-(4-methoxyphenyl)propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CSCCO2)N3CCCC3

DOS

IR

Vibrations