Geometry & MOs

Info

ID:	126188
PubChem CID:	50954887
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-87.22
Dipole, Da:	9.18
IP(EA), eV:	-8.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C2CC(=O)NC3=C2C(=CC(=C3)OC)OC

DOS

IR

Vibrations