Geometry & MOs

Info

ID:	136441
PubChem CID:	52043633
Reduced:	ON4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	304.096026
ΔH_f, kcal/mol:	4.11
Dipole, Da:	3.69
IP(EA), eV:	-8.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl 1-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2CCCN(C2)C3=NC=CC(=N3)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations