Geometry & MOs

Info

ID:	419952
PubChem CID:	135110130
Reduced:	NOC23H29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	301.201494
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	2.54
IP(EA), eV:	-8.65(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-pyrrolidin-1-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)CN3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations