Geometry & MOs

Info

ID:	281425
PubChem CID:	103913857
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	-85.32
Dipole, Da:	4.22
IP(EA), eV:	-8.96(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC2CCCC2S(=O)(=O)C

DOS

IR

Vibrations