Geometry & MOs

Info

ID:	354620
PubChem CID:	127287237
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	6.69
IP(EA), eV:	-9.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCN(CC1)C(=O)CC2=CC=C(C=C2)Cl)N(C)C3CC3

DOS

IR

Vibrations