Geometry & MOs

Info

ID:	55422
PubChem CID:	17395376
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	6.62
IP(EA), eV:	-8.91(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-pyridin-3-ylurea

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations