Geometry & MOs

Info

ID:	330192
PubChem CID:	127247179
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	319.179696
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	3.22
IP(EA), eV:	-9.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-2-phenylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CCC3=NN=C(O3)C(C)C

DOS

IR

Vibrations