Geometry & MOs

Info

ID:	347895
PubChem CID:	127272957
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	4.96
IP(EA), eV:	-8.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C(C)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4)C

DOS

IR

Vibrations