Geometry & MOs

Info

ID:	157593
PubChem CID:	56435935
Reduced:	Cl2O3N4C18H18 (1)
Stoich.:	A2B3C4D18E18 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	4.24
IP(EA), eV:	-9.37(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)CCC2=NC=C(O2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations