Geometry & MOs

Info

ID:	289306
PubChem CID:	104344699
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	2.99
IP(EA), eV:	-9.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dimethylphenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=NC(=NC(=C2)NC)COC)Br

DOS

IR

Vibrations