Geometry & MOs

Info

ID:	420776
PubChem CID:	135114798
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	3.67
IP(EA), eV:	-8.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)CN(C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations