Geometry & MOs

Info

ID:	221873
PubChem CID:	85291493
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	3.55
IP(EA), eV:	-8.81(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-hydroxy-4a,8-dimethyl-7-oxo-3,4-dihydronaphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1CC(=O)C2C1N(OC2C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations