Geometry & MOs

Info

ID:	402918
PubChem CID:	135057873
Reduced:	SiN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	68.13
Dipole, Da:	6.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754033
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-[[1-(2-phenylethenyl)triazol-4-yl]methoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC[Si](CC)N1C=CC2=C(C=CC=C21)C#N

DOS

IR

Vibrations