Geometry & MOs

Info

ID:	243317
PubChem CID:	99218301
Reduced:	N2O7C23H28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	427.163102
ΔH_f, kcal/mol:	-253.29
Dipole, Da:	7.43
IP(EA), eV:	-9.0(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-2-oxoethyl)amino]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NCCC(=O)N(CC2=CC(=CC(=C2)OC)OC)CC(=O)OC

DOS

IR

Vibrations