Geometry & MOs

Info

ID:	275830
PubChem CID:	103818175
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-136.09
Dipole, Da:	7.29
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)NC2=CC=CC(=C2)C(=O)NC

DOS

IR

Vibrations