Geometry & MOs

Info

ID:	286814
PubChem CID:	104222502
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	82.73
Dipole, Da:	3.4
IP(EA), eV:	-9.17(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations