Geometry & MOs

Info

ID:	64516
PubChem CID:	29202744
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-89.57
Dipole, Da:	10.2
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCOC

DOS

IR

Vibrations