Geometry & MOs

Info

ID:	130452
PubChem CID:	51090883
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	4.18
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methoxyethoxy)propyl]-4-(4-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)CSCC2=CC=NC=C2

DOS

IR

Vibrations