Geometry & MOs

Info

ID:	380636
PubChem CID:	134971146
Reduced:	OPN2C26H35 (1)
Stoich.:	ABC2D26E35 (1)
Weight, g/mol:	348.256549
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	3.23
IP(EA), eV:	-8.96(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S)-3,6-dimethyl-1-N,2-N-bis[(1S)-1-phenylethyl]cyclohex-4-ene-1,2-diamine

Drug info:

PubChemData

Smile

C[C@@H](C=C)[C@@H]1[C@H](N(P(=O)N1[C@@H](C)C2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)C(C)C=C

DOS

IR

Vibrations