Geometry & MOs

Info

ID:	162818
PubChem CID:	57571010
Reduced:	ClO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	7.48
IP(EA), eV:	-9.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-[(4-methylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations