Geometry & MOs

Info

ID:	414343
PubChem CID:	135087299
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	5.49
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations