Geometry & MOs

Info

ID:	195054
PubChem CID:	78628020
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-10.41
Dipole, Da:	2.6
IP(EA), eV:	-9.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylphenyl)methyl 3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)COC(=O)C=CC2=CN(N=N2)CC3=CC=CC=C3)C

DOS

IR

Vibrations