Geometry & MOs

Info

ID:	417832
PubChem CID:	135102890
Reduced:	NOC20H31 (1)
Stoich.:	ABC20D31 (1)
Weight, g/mol:	391.102434
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	2.79
IP(EA), eV:	-8.49(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)CN2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations