Geometry & MOs

Info

ID:

52307

PubChem CID:

12015134

Reduced:

NOH23C30 (2)

Stoich.:

ABC23D30 (2)

Weight, g/mol:

278.235814

ΔHf, kcal/mol:

159.12

Dipole, Da:

3.98

IP(EA), eV:

 -8.11(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(diethylamino)-2-(3-hydroxy-3,5,5-trimethylcyclohexen-1-yl)butanenitrile

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N/C=C/2\C=C3C=CC=CC3=C(C2=O)C4=C(C=CC5=CC=CC=C54)C6=CC=CC=C6)N/C=C\7/C=C8C=CC=CC8=C(C7=O)C9=C(C=CC1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations