Geometry & MOs

Info

ID:	183933
PubChem CID:	77090937
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	2.75
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC=C2CC(=O)N3CCC4(CC3)CC(=O)N(C4)C

DOS

IR

Vibrations