Geometry & MOs

Info

ID:	427818
PubChem CID:	135163622
Reduced:	NC19H19 (1)
Stoich.:	AB19C19 (1)
Weight, g/mol:	443.246044
ΔH_f, kcal/mol:	51.66
Dipole, Da:	2.96
IP(EA), eV:	-7.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-(3-methoxynaphthalen-2-yl)pyridin-2-yl]-5-methylidenecycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C2C(=CN1C)C3=CC=CC=C3C4=CC=CC(=C24)C

DOS

IR

Vibrations