Geometry & MOs

Info

ID:	312774
PubChem CID:	126608504
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	321.17625
ΔH_f, kcal/mol:	57.06
Dipole, Da:	4.47
IP(EA), eV:	-9.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,5S)-5-amino-4-methyl-3-pentan-3-yloxycyclohexen-1-yl]-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C=C1COCC2=CC=CC=C2)N=[N+]=[N-]

DOS

IR

Vibrations