Geometry & MOs

Info

ID:	72532
PubChem CID:	48416276
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-223.78
Dipole, Da:	5.53
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(C3=C(O2)CCCC3=O)C)C(=O)OC

DOS

IR

Vibrations