Geometry & MOs

Info

ID:	194272
PubChem CID:	78507101
Reduced:	N4O5C18H18 (1)
Stoich.:	A4B5C18D18 (1)
Weight, g/mol:	331.105587
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	4.94
IP(EA), eV:	-9.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylethyl 4,5-dimethoxy-2-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)NC(=O)COC(=O)CN2C(=O)OC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations