Geometry & MOs

Info

ID:	71803
PubChem CID:	48415454
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-15.37
Dipole, Da:	5.37
IP(EA), eV:	-8.91(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations