Geometry & MOs

Info

ID:	442668
PubChem CID:	135254705
Reduced:	BrNOH22C24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	318.303499
ΔH_f, kcal/mol:	55.54
Dipole, Da:	1.97
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ylmethyl)-4-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C/C(=C\C2=CC=C(C=C2)Br)/C(=O)C3=CC=CC=C3

DOS

IR

Vibrations