Geometry & MOs

Info

ID:	421633
PubChem CID:	135116324
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	5.33
IP(EA), eV:	-9.16(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC3=CC=C(C=C3)CCN

DOS

IR

Vibrations