Geometry & MOs

Info

ID:	142304
PubChem CID:	53013249
Reduced:	BrO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	2.81
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)Br

DOS

IR

Vibrations