Geometry & MOs

Info

ID:	149139
PubChem CID:	53788811
Reduced:	CPH2N2 (2)
Stoich.:	ABC2D2 (2)
Weight, g/mol:	689.342463
ΔH_f, kcal/mol:	61.52
Dipole, Da:	6.03
IP(EA), eV:	-9.44(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethoxyphenyl)ethyl-[3-[[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]methyl]piperidine-1-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=NP=NC=NP=N1

DOS

IR

Vibrations