Geometry & MOs

Info

ID:	354545
PubChem CID:	127287159
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	4.46
IP(EA), eV:	-8.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NCC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations