Geometry & MOs

Info

ID:	349653
PubChem CID:	127275805
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	4.6
IP(EA), eV:	-8.46(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations