Geometry & MOs

Info

ID:	312601
PubChem CID:	126606749
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	4.37
IP(EA), eV:	-8.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,6,7-trimethoxy-8-propan-2-ylnaphthalene-2-carboximidate

Drug info:

PubChemData

Smile

CN(C)/C(=C/C=C)/C=C/OC1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations