Geometry & MOs

Info

ID:	286798
PubChem CID:	104222418
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	52.65
Dipole, Da:	2.84
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C2=NC=C(C=N2)CNC(C)(C)C)C

DOS

IR

Vibrations