Geometry & MOs

Info

ID:	143254
PubChem CID:	53174330
Reduced:	OF2N5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-109.12
Dipole, Da:	3.6
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)N2CCCC(C2)CCC(=O)NCC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations