Geometry & MOs

Info

ID:	362454
PubChem CID:	127307800
Reduced:	OS2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	43.76
Dipole, Da:	5.64
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations