Geometry & MOs

Info

ID:	417593
PubChem CID:	135102175
Reduced:	N5C22H23 (1)
Stoich.:	A5B22C23 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	90.71
Dipole, Da:	3.0
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations