Geometry & MOs

Info

ID:	37330
PubChem CID:	8019826
Reduced:	ClN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	10.1
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations