Geometry & MOs

Info

ID:	148576
PubChem CID:	53788244
Reduced:	ON4C31H41 (1)
Stoich.:	AB4C31D41 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	83.88
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.147289
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2,3,6-trimethyl-2,3-dihydro-1H-inden-1-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)C)C2CC3(C(C[N+](C3C4=CC(=C(C=C4)C)C)(C)CC#CCN=[N+]=[N-])C)OC2

DOS

IR

Vibrations