Geometry & MOs

Info

ID:	349623
PubChem CID:	127275775
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	3.7
IP(EA), eV:	-9.25(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC2CCC=CC2

DOS

IR

Vibrations