Geometry & MOs

Info

ID:	349628
PubChem CID:	127275780
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-119.66
Dipole, Da:	2.63
IP(EA), eV:	-8.52(0.24)
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-propylpiperidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)N2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations