Geometry & MOs

Info

ID:	197157
PubChem CID:	78929850
Reduced:	SN4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	268.093581
ΔH_f, kcal/mol:	57.19
Dipole, Da:	3.38
IP(EA), eV:	-9.08(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC2=NC=NC(=C2)N

DOS

IR

Vibrations