Geometry & MOs

Info

ID:	70872
PubChem CID:	48413982
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	394.131091
ΔH_f, kcal/mol:	-78.51
Dipole, Da:	6.08
IP(EA), eV:	-8.29(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations