Geometry & MOs

Info

ID:	148522
PubChem CID:	53788185
Reduced:	OC31H50 (1)
Stoich.:	AB31C50 (1)
Weight, g/mol:	421.155705
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	1.87
IP(EA), eV:	-8.6(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-ethyl-2-propylbenzene;phenyl 2H-benzotriazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1CC2C3C(C(C4=C(C3C(CC2(C1(C)CC(C)C)C)C)C(=C(C(=C4C)OC)C)C)C)C

DOS

IR

Vibrations