Geometry & MOs

Info

ID:	420632
PubChem CID:	135114495
Reduced:	N2O2H8C9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-47.55
Dipole, Da:	4.53
IP(EA), eV:	-9.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)CCC(=O)NCC3=NOC(=N3)C(=O)N

DOS

IR

Vibrations