Geometry & MOs

Info

ID:	72398
PubChem CID:	48416130
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-213.9
Dipole, Da:	3.63
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)OC

DOS

IR

Vibrations