Geometry & MOs

Info

ID:	169326
PubChem CID:	75089497
Reduced:	NO3H7C11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	5.61
IP(EA), eV:	-10.12(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C=C1C=CC2=NC=CC(=C2C1=O)C(=O)O

DOS

IR

Vibrations