Geometry & MOs

Info

ID:	307267
PubChem CID:	125299308
Reduced:	ClNO2H8C11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	300.112661
ΔH_f, kcal/mol:	-27.76
Dipole, Da:	2.15
IP(EA), eV:	-9.11(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl [(E)-3-methyl-4-phenylmethoxybut-2-enyl] phosphate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)[C@@H]4[C@H]5[C@H]([C@@H]3O4)C(=NO5)C6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations