Geometry & MOs

Info

ID:	243782
PubChem CID:	99239566
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	429.215138
ΔH_f, kcal/mol:	-134.3
Dipole, Da:	4.92
IP(EA), eV:	-9.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-methylphenyl)methyl-[3-(2,3,4-trimethoxyphenyl)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)CCCC2=NC(=NO2)C(C)(C)C

DOS

IR

Vibrations