Geometry & MOs

Info

ID:	358548
PubChem CID:	127296144
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-34.75
Dipole, Da:	5.89
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations