Geometry & MOs

Info

ID:	122443
PubChem CID:	50807130
Reduced:	N2O5C16H22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	454.177168
ΔH_f, kcal/mol:	-194.45
Dipole, Da:	6.73
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorobenzoyl)amino]-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)N(C)CC2COCCO2)C(=O)O

DOS

IR

Vibrations