Geometry & MOs

Info

ID:	433603
PubChem CID:	135173743
Reduced:	ON9C37H39 (1)
Stoich.:	AB9C37D39 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	113.72
Dipole, Da:	4.45
IP(EA), eV:	-8.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-prop-2-enylphenyl)benzotriazole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CNCCO)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations