Geometry & MOs

Info

ID:	330125
PubChem CID:	127247112
Reduced:	ON3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	305.164046
ΔH_f, kcal/mol:	28.77
Dipole, Da:	2.64
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations