Geometry & MOs

Info

ID:	266587
PubChem CID:	103573365
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	8.12
IP(EA), eV:	-9.63(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-N-[(1-propylpyrazol-4-yl)methyl]anilino]acetic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NCC1=CN(N=C1)CCC

DOS

IR

Vibrations