Geometry & MOs

Info

ID:	319749
PubChem CID:	126657170
Reduced:	OC24H38 (1)
Stoich.:	AB24C38 (1)
Weight, g/mol:	413.210327
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	1.82
IP(EA), eV:	-8.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R)-6-(4-ethenyl-N-methylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C\C=C\C=C=C(C)C(C)(C)C)/C=C/[C@@H]1CC(CC(O1)(C)C)(C)C

DOS

IR

Vibrations