Geometry & MOs

Info

ID:	223497
PubChem CID:	85335127
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	391.251129
ΔH_f, kcal/mol:	-103.2
Dipole, Da:	2.88
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-adamantyl)-2-oxoethylidene]-3,3,4,4-tetramethyl-2H-isoquinoline-6-carbaldehyde

Drug info:

PubChemData

Smile

COC(=O)C1(CC1C(=O)NO)C2=CC(=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations