Geometry & MOs

Info

ID:	330184
PubChem CID:	127247171
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	312.206245
ΔH_f, kcal/mol:	68.8
Dipole, Da:	3.82
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations