Geometry & MOs

Info

ID:	324359
PubChem CID:	126677506
Reduced:	SO2N5H39C42 (1)
Stoich.:	AB2C5D39E42 (1)
Weight, g/mol:	154.146999
ΔH_f, kcal/mol:	61.92
Dipole, Da:	8.53
IP(EA), eV:	-8.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-5-methyl-2-propan-2-yl-1,4-dihydroimidazole

Drug info:

PubChemData

Smile

CCC12CN3CCC1CC3[C@@H](O2)C4=C5C=C(C=CC5=NC=C4)NC(=S)NC6=C(C7=CC=CC=C7C=C6)C8=C(C=CC9=CC=CC=C98)NC(=O)C

DOS

IR

Vibrations