Geometry & MOs

Info

ID:	203000
PubChem CID:	79760181
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	241.161269
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	4.56
IP(EA), eV:	-9.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine

Drug info:

PubChemData

Smile

CC1C(CCO1)C(=O)C2=CNC=C2

DOS

IR

Vibrations