Geometry & MOs

Info

ID:	442006
PubChem CID:	135247751
Reduced:	O4C35H52 (1)
Stoich.:	A4B35C52 (1)
Weight, g/mol:	430.246772
ΔH_f, kcal/mol:	-174.84
Dipole, Da:	2.78
IP(EA), eV:	-8.52(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[3-(2-heptyl-5-methylperoxyphenyl)phenoxy]peroxy-1-N-methylprop-2-ene-1,2-diamine

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CC(=C(C=C2)C3=CC(=CC(=C3)OCCC(=C)CO)OCCC(=C)CO)CC

DOS

IR

Vibrations