Geometry & MOs

Info

ID:	352143
PubChem CID:	127283211
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	47.9
Dipole, Da:	4.83
IP(EA), eV:	-8.56(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1H-indene-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)CCCCCC4)N=N1

DOS

IR

Vibrations