Geometry & MOs

Info

ID:	122744
PubChem CID:	50820091
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	4.02
IP(EA), eV:	-8.61(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(1,3-benzodioxol-5-yl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-4-tert-butylbenzamide

Drug info:

PubChemData

Smile

C1COCCN1CCN=C(NC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations