Geometry & MOs

Info

ID:	253054
PubChem CID:	103115759
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-14.94
Dipole, Da:	2.53
IP(EA), eV:	-9.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-aminoethoxy)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C)C2=CN=CN2C

DOS

IR

Vibrations