Geometry & MOs

Info

ID:	253125
PubChem CID:	103116200
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	9.11
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminophenyl)-N-ethyl-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N(CC(=O)O)C2=CC=CC=C2N

DOS

IR

Vibrations