Geometry & MOs

Info

ID:	264229
PubChem CID:	103444039
Reduced:	BrClON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	5.97
Dipole, Da:	2.16
IP(EA), eV:	-8.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-2-yl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)OC)Br)C2=C(C=CC=N2)Cl

DOS

IR

Vibrations