Geometry & MOs

Info

ID:	238689
PubChem CID:	92765075
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-80.07
Dipole, Da:	5.69
IP(EA), eV:	-8.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)CCCNC(=O)[C@@H]2CC3=CC=CC=C3N2C(=O)C

DOS

IR

Vibrations