Geometry & MOs

Info

ID:	39323
PubChem CID:	8140266
Reduced:	ON2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	0.83
Dipole, Da:	4.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002434
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations