Geometry & MOs

Info

ID:	363110
PubChem CID:	127310143
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	341.160023
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	6.38
IP(EA), eV:	-9.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)C

DOS

IR

Vibrations