Geometry & MOs

Info

ID:	216060
PubChem CID:	85085650
Reduced:	BrO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	221.102508
ΔH_f, kcal/mol:	-107.96
Dipole, Da:	1.17
IP(EA), eV:	-10.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(diaminomethylidenehydrazinylidene)methyl]pyrimidine-2-carboximidate

Drug info:

PubChemData

Smile

C1CC(C2(CCCO2)OC1)Br

DOS

IR

Vibrations