Geometry & MOs

Info

ID:	354496
PubChem CID:	127287045
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-126.94
Dipole, Da:	5.18
IP(EA), eV:	-8.76(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethylpiperidin-3-yl)methyl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NCC2=CC=C(C=C2)OC3CCCCC3

DOS

IR

Vibrations