Geometry & MOs

Info

ID:	72374
PubChem CID:	48416101
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-120.21
Dipole, Da:	5.66
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CC=C(C=C2)C#N)C(=O)OC

DOS

IR

Vibrations