Geometry & MOs

Info

ID:	257226
PubChem CID:	103144515
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	4.88
IP(EA), eV:	-7.97(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2CCOCC2)C)N

DOS

IR

Vibrations