Geometry & MOs

Info

ID:	156618
PubChem CID:	56371377
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	463.221954
ΔH_f, kcal/mol:	-116.73
Dipole, Da:	3.61
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]-[4-(5-nitropyridin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CN1C2CCN(CC2)C(=O)CCNC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations