Geometry & MOs

Info

ID:	72529
PubChem CID:	48416273
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-213.83
Dipole, Da:	4.95
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(cyclopropanecarbonylamino)butanoylamino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CNC(=O)C2=COC=C2)C(=O)OC

DOS

IR

Vibrations