Geometry & MOs

Info

ID:	286810
PubChem CID:	104222491
Reduced:	N5C14H17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	131.48
Dipole, Da:	3.99
IP(EA), eV:	-9.17(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-cyclopropylpyrazol-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC1C2=NN(C=C2)C3=NC=C(C=N3)CNC4CC4

DOS

IR

Vibrations