Geometry & MOs

Info

ID:	422756
PubChem CID:	135118357
Reduced:	ClON2C18H25 (1)
Stoich.:	ABC2D18E25 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	5.23
IP(EA), eV:	-8.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations