Geometry & MOs

Info

ID:	206433
PubChem CID:	80250030
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	-50.7
Dipole, Da:	5.46
IP(EA), eV:	-9.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)CNC(=O)C2=CC(=NC=C2)Cl

DOS

IR

Vibrations