Geometry & MOs

Info

ID:	191156
PubChem CID:	78112546
Reduced:	SN2O4C31H44 (1)
Stoich.:	AB2C4D31E44 (1)
Weight, g/mol:	306.209599
ΔH_f, kcal/mol:	-153.06
Dipole, Da:	3.66
IP(EA), eV:	-8.55(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-1-(4-phenyl-1-azabicyclo[2.2.1]heptan-2-yl)methanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC2(C1CCC34C2CCC(C3)(C5C4CON5C(=S)NC6=CC=CC=C6OC)C)C)C

DOS

IR

Vibrations