Geometry & MOs

Info

ID:	419131
PubChem CID:	135107579
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	324.231397
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	5.93
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CN1CC(CC1=O)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations