Geometry & MOs

Info

ID:	421820
PubChem CID:	135116669
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	51.04
Dipole, Da:	2.24
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CS1)C(=O)N(CC2=NC=CN2C)C3CC3)C4=CC=CC=C4

DOS

IR

Vibrations