Geometry & MOs

Info

ID:	225302
PubChem CID:	85756453
Reduced:	SN6O6C25H40 (1)
Stoich.:	AB6C6D25E40 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-259.92
Dipole, Da:	3.3
IP(EA), eV:	-9.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-2-yl)-5-(2-ethylhexyl)phenol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations