Geometry & MOs

Info

ID:	418986
PubChem CID:	135107262
Reduced:	SO3N7C28H37 (1)
Stoich.:	AB3C7D28E37 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	2.2
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)CC4=CN=CC=C4)N=N3

DOS

IR

Vibrations