Geometry & MOs

Info

ID:	417323
PubChem CID:	135092062
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	1.66
IP(EA), eV:	-8.53(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)N3CCCC3)C

DOS

IR

Vibrations