Geometry & MOs

Info

ID:	368401
PubChem CID:	127328326
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-25.75
Dipole, Da:	4.32
IP(EA), eV:	-9.42(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC=C2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations