Geometry & MOs

Info

ID:	439606
PubChem CID:	135229385
Reduced:	FN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	407.330048
ΔH_f, kcal/mol:	7.39
Dipole, Da:	1.01
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methyl-4-undecan-6-ylpiperidin-1-yl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC=C(C=N2)F)C

DOS

IR

Vibrations