Geometry & MOs

Info

ID:	362865
PubChem CID:	127309694
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	372.227374
ΔH_f, kcal/mol:	-146.49
Dipole, Da:	4.61
IP(EA), eV:	-8.52(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyanopyridin-2-yl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations