Geometry & MOs

Info

ID:	193788
PubChem CID:	78436959
Reduced:	ClO2N6C23H33 (1)
Stoich.:	AB2C6D23E33 (1)
Weight, g/mol:	296.113412
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	2.06
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-3-(ethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CCCCCN1C2C(=[N+](C(=O)N(C2=O)C)C)N=C1C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations