Geometry & MOs

Info

ID:	72517
PubChem CID:	48416261
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	404.231122
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	7.9
IP(EA), eV:	-8.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-oxoazocan-1-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations