Geometry & MOs

Info

ID:	416601
PubChem CID:	135089801
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	360.184921
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	5.26
IP(EA), eV:	-9.48(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[1-(2-fluorophenyl)cyclopropanecarbonyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)N

DOS

IR

Vibrations