Geometry & MOs

Info

ID:	299421
PubChem CID:	117682884
Reduced:	FO4N5C31H36 (1)
Stoich.:	AB4C5D31E36 (1)
Weight, g/mol:	515.253255
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	10.76
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(3-carbamoylphenyl)pyrimidin-4-yl]piperidin-4-yl]methyl]-3-(cyclopropylmethoxy)-5-methoxybenzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC(=C1)C2=NC=CC(=N2)N3CCC(CC3)CNC(=O)C4=CC(=CC(=C4)OCC5CC5)OC)F

DOS

IR

Vibrations