Geometry & MOs

Info

ID:	286796
PubChem CID:	104222411
Reduced:	BrN5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	97.95
Dipole, Da:	5.82
IP(EA), eV:	-9.47(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations