Geometry & MOs

Info

ID:	147325
PubChem CID:	53786981
Reduced:	P3N6O21C43H78 (1)
Stoich.:	A3B6C21D43E78 (1)
Weight, g/mol:	194.178299
ΔH_f, kcal/mol:	-1024.1
Dipole, Da:	12.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.505945
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-propan-2-yl-2H-imidazole

Drug info:

PubChemData

Smile

CC1CC(C(O1)COC)OP(=O)([O-])OCC2C(CC(O2)C)OP(=O)([O-])OCC3C(CC(O3)C)OP(=O)(C)[O-].CC(=O)CN(CCNC)CC(=O)NCCN(CC(=O)C)CC(=O)NCCN(CC(=O)C)CC(=O)C

DOS

IR

Vibrations