Geometry & MOs

Info

ID:	367017
PubChem CID:	127322949
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	6.75
IP(EA), eV:	-9.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCCCC3=CC=CC=C32

DOS

IR

Vibrations