Geometry & MOs

Info

ID:	362909
PubChem CID:	127309747
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-86.34
Dipole, Da:	2.69
IP(EA), eV:	-8.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyanopyridin-2-yl)-N-(2,3-dihydro-1H-inden-1-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)NCC3CCC4=CC=CC=C34)OC

DOS

IR

Vibrations