Geometry & MOs

Info

ID:	446632
PubChem CID:	135276528
Reduced:	OF5N5H14C19 (1)
Stoich.:	AB5C5D14E19 (1)
Weight, g/mol:	465.192466
ΔH_f, kcal/mol:	-193.13
Dipole, Da:	6.82
IP(EA), eV:	-9.8(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-6-(triazol-2-yl)phenyl]-[4-(4-hydroxy-6-methoxy-1,4-dihydroquinazolin-2-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](CC1=NC2=NC=CN=C2N1CC3=CC(=O)NC4=C3C=CC(=C4F)F)C(F)(F)F

DOS

IR

Vibrations