Geometry & MOs

Info

ID:	364387
PubChem CID:	127315564
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	9.46
IP(EA), eV:	-8.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-tert-butyl-1H-indole-2-carbonyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations