Geometry & MOs

Info

ID:	223968
PubChem CID:	85336397
Reduced:	O5C24H32 (1)
Stoich.:	A5B24C32 (1)
Weight, g/mol:	400.236208
ΔH_f, kcal/mol:	-179.62
Dipole, Da:	2.69
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-7-ylmethanol;2-(6-methoxynaphthalen-2-yl)propanoic acid

Drug info:

PubChemData

Smile

COC(=O)CCCC(C=CC=CC=CC=CC(C(CCC1=CC=CC=C1)O)O)O

DOS

IR

Vibrations