Geometry & MOs

Info

ID:	286808
PubChem CID:	104222486
Reduced:	N5C9H11 (1)
Stoich.:	A5B9C11 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	92.36
Dipole, Da:	3.14
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=NC=C(C=N2)CN

DOS

IR

Vibrations