Geometry & MOs

Info

ID:	358495
PubChem CID:	127296091
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	5.01
IP(EA), eV:	-8.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations