Geometry & MOs

Info

ID:	84702
PubChem CID:	49869365
Reduced:	ClO2N5C31H34 (1)
Stoich.:	AB2C5D31E34 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	5.64
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclohexylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2CCN(CC2)CC(CNC(=O)C3=C(N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)O

DOS

IR

Vibrations