Geometry & MOs

Info

ID:	209833
PubChem CID:	80729317
Reduced:	BrSN3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	345.03376
ΔH_f, kcal/mol:	40.9
Dipole, Da:	4.28
IP(EA), eV:	-9.08(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-bromophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)CNC(C)(C)C)CN2C=C(C=N2)Br

DOS

IR

Vibrations