Geometry & MOs

Info

ID:	343895
PubChem CID:	127267071
Reduced:	ClO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	4.65
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[1-(2-methoxyphenyl)piperidin-4-yl]amino]methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCC(CC1)NCC2=C(C3=CC=CC=C3O2)Cl

DOS

IR

Vibrations