Geometry & MOs

Info

ID:	15842
PubChem CID:	453386
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	18.36
Dipole, Da:	6.0
IP(EA), eV:	-8.39(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)NC(C)C

DOS

IR

Vibrations