Geometry & MOs

Info

ID:	199214
PubChem CID:	79218255
Reduced:	N3C17H29 (1)
Stoich.:	A3B17C29 (1)
Weight, g/mol:	221.09644
ΔH_f, kcal/mol:	5.93
Dipole, Da:	2.3
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)C2CC2)CC)CCNCC(C)C

DOS

IR

Vibrations