Geometry & MOs

Info

ID:	354546
PubChem CID:	127287160
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-101.6
Dipole, Da:	3.92
IP(EA), eV:	-8.32(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)CCN(C)C(=O)NCC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations