Geometry & MOs

Info

ID:	188445
PubChem CID:	77719008
Reduced:	ClO2N4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	437.08695
ΔH_f, kcal/mol:	22.71
Dipole, Da:	2.77
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-3-yl)-N-methyl-N-[1-(1-phenylpyrrolidin-2-yl)ethyl]acetamide;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC=CC=C2CNNO)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations