Geometry & MOs

Info

ID:	417224
PubChem CID:	135091736
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	3.72
IP(EA), eV:	-8.68(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(1-oxo-2H-isoquinoline-4-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N(CCO)CC2=NC=CN2)OC

DOS

IR

Vibrations