Geometry & MOs

Info

ID:	187719
PubChem CID:	77614234
Reduced:	ClO2N5C30H42 (1)
Stoich.:	AB2C5D30E42 (1)
Weight, g/mol:	439.294725
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	5.24
IP(EA), eV:	-8.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(C1)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=C4CN(C)C

DOS

IR

Vibrations