Geometry & MOs

Info

ID:	421431
PubChem CID:	135116000
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	3.83
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23)N4CCCC4

DOS

IR

Vibrations