Geometry & MOs

Info

ID:	357087
PubChem CID:	127293157
Reduced:	BrN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-90.56
Dipole, Da:	3.5
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-cyclopentylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=CC4=C(C(=C3)Br)OCO4

DOS

IR

Vibrations