Geometry & MOs

Info

ID:	419719
PubChem CID:	135108863
Reduced:	ClO2N6C15H17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	27.6
Dipole, Da:	4.71
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=NOC(=N1)CN(C)CCC2=NC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations