Geometry & MOs

Info

ID:	173449
PubChem CID:	75640189
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	370.124132
ΔH_f, kcal/mol:	38.68
Dipole, Da:	7.79
IP(EA), eV:	-7.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(difluoromethoxy)phenyl]-7-(2-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C[NH+]2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCCC[N+]4=CNC=C4

DOS

IR

Vibrations