Geometry & MOs

Info

ID:	286812
PubChem CID:	104222493
Reduced:	N5C11H13 (1)
Stoich.:	A5B11C13 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	114.53
Dipole, Da:	3.65
IP(EA), eV:	-9.11(-1.0)
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-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations