Geometry & MOs

Info

ID:	340549
PubChem CID:	127262560
Reduced:	IN2C33H39 (1)
Stoich.:	AB2C33D39 (1)
Weight, g/mol:	207.91514
ΔH_f, kcal/mol:	106.27
Dipole, Da:	22.39
IP(EA), eV:	-5.45(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-chloro-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=CC=CC2=CC=CC=C21)N3CC[N+](=C3)[C@H](C4=CC=CC5=CC=CC=C54)C(C)(C)C.[I-]

DOS

IR

Vibrations