Geometry & MOs

Info

ID:	446162
PubChem CID:	135272837
Reduced:	NC2H3 (5)
Stoich.:	AB2C3 (5)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	77.29
Dipole, Da:	4.08
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-4a,8,8-trimethyl-2,3,4,5,6,8a-hexahydrochromen-7-one

Drug info:

PubChemData

Smile

CC(C)(C)NC1=CC=CC(=N1)CN=[N+]=[N-]

DOS

IR

Vibrations