Geometry & MOs

Info

ID:	354544
PubChem CID:	127287158
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	6.55
IP(EA), eV:	-9.33(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-[(1-ethylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)C(=O)CNC(=O)N2CCC(CC2)N3CCCC3=O

DOS

IR

Vibrations