Geometry & MOs

Info

ID:	447137
PubChem CID:	135280601
Reduced:	SN3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	500.270675
ΔH_f, kcal/mol:	30.13
Dipole, Da:	4.05
IP(EA), eV:	-8.78(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)phenyl]-4-[(E)-1-(2-ethyl-4-methylphenyl)prop-1-enyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CN(N=N1)C(C)CSC

DOS

IR

Vibrations