Geometry & MOs

Info

ID:	286794
PubChem CID:	104222406
Reduced:	ClN5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	311.03817
ΔH_f, kcal/mol:	87.76
Dipole, Da:	5.73
IP(EA), eV:	-9.38(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromopyrazol-1-yl)pyrimidin-5-yl]methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)N2C=C(C=N2)Cl

DOS

IR

Vibrations