Geometry & MOs

Info

ID:	126773
PubChem CID:	50977914
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	8.4
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-dimethyl-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-1H-pyrrol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=C(C=C1)C(=O)N(C)C(C)CC(=O)NC

DOS

IR

Vibrations