Geometry & MOs

Info

ID:	349652
PubChem CID:	127275804
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	4.25
IP(EA), eV:	-8.73(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations