Geometry & MOs

Info

ID:	190913
PubChem CID:	78075871
Reduced:	BrNC25H31 (1)
Stoich.:	ABC25D31 (1)
Weight, g/mol:	473.15795
ΔH_f, kcal/mol:	78.89
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.171614
Charge, e:	0

Chem-info

IUPAC name:

(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-dimethyl-[(4-phenylphenyl)methyl]azanium;iodide

Drug info:

PubChemData

Smile

CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC(=CC=C4)Br)C

DOS

IR

Vibrations