Geometry & MOs

Info

ID:	368396
PubChem CID:	127328304
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-30.15
Dipole, Da:	3.2
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethyl-1H-indol-2-yl)-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations