Geometry & MOs

Info

ID:	419430
PubChem CID:	135108167
Reduced:	N6O8C35H44 (1)
Stoich.:	A6B8C35D44 (1)
Weight, g/mol:	329.232794
ΔH_f, kcal/mol:	-206.84
Dipole, Da:	5.24
IP(EA), eV:	-8.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=NOC=C4

DOS

IR

Vibrations