Geometry & MOs

Info

ID:	382506
PubChem CID:	134973712
Reduced:	ClNH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	340.131074
ΔH_f, kcal/mol:	61.84
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.041941
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[acetyloxy-(4-phenoxyphenyl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1C2=CC=CC=C2)[ClH+])C)C3=CC=CC=C3

DOS

IR

Vibrations