Geometry & MOs

Info

ID:	199989
PubChem CID:	79328886
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	233.189198
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	3.63
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopropylimidazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(=CC1=CC(=C(C(=C1)Cl)OC)OC)CNC2CC2

DOS

IR

Vibrations