Geometry & MOs

Info

ID:	196419
PubChem CID:	78820954
Reduced:	SO3N5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	12.86
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN(CCC#N)CC3=CC=CO3

DOS

IR

Vibrations