Geometry & MOs

Info

ID:	418079
PubChem CID:	135103488
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	367.186906
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	3.18
IP(EA), eV:	-8.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-morpholin-4-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)OC)C(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations