Geometry & MOs

Info

ID:	435423
PubChem CID:	135191440
Reduced:	FO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	-89.57
Dipole, Da:	3.69
IP(EA), eV:	-8.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[4-(methylaminosulfanylmethyl)phenoxy]pyrimidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(NC(=C1NC(=O)C2CCN(CC2)C)C)/C=C(\C=O)/C3=C(C=CC(=C3)F)NC

DOS

IR

Vibrations