Geometry & MOs

Info

ID:	129655
PubChem CID:	51073477
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-124.69
Dipole, Da:	4.46
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCCCN2CCCC2

DOS

IR

Vibrations