Geometry & MOs

Info

ID:	169817
PubChem CID:	75154488
Reduced:	N4O19C71H126 (1)
Stoich.:	A4B19C71D126 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-1014.03
Dipole, Da:	12.3
IP(EA), eV:	-9.6(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroperoxy-1-methyl-4-prop-1-en-2-ylcyclohexane

Drug info:

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)OC2C(C(C(C(O2)C)O)O)OC3C(C(C(C(O3)C)O)O)O)C(=O)NC(C)C(=O)NC(C)COC4C(C(C(C(O4)C)OC)OC)O)O

DOS

IR

Vibrations