Geometry & MOs

Info

ID:	435224
PubChem CID:	135185227
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	704.387246
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	4.57
IP(EA), eV:	-7.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(benzotriazol-2-yl)-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]benzotriazole

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCCC3)C(=N2)NCCO)OCCCN4CCCC4

DOS

IR

Vibrations