Geometry & MOs

Info

ID:	145834
PubChem CID:	53600238
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	42.52
Dipole, Da:	4.47
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropylmorpholin-2-yl)methyl]-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])NCCS(=O)C3=CC=CC=C3

DOS

IR

Vibrations