Geometry & MOs

Info

ID:	179228
PubChem CID:	76453348
Reduced:	O5N6C14H20 (1)
Stoich.:	A5B6C14D20 (1)
Weight, g/mol:	433.118464
ΔH_f, kcal/mol:	-148.05
Dipole, Da:	3.34
IP(EA), eV:	-9.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[[1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]-methylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CN(C)CC(=O)OC1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO

DOS

IR

Vibrations