Geometry & MOs

Info

ID:	445595
PubChem CID:	135268434
Reduced:	ON3C15H17 (2)
Stoich.:	AB3C15D17 (2)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	7.57
Dipole, Da:	3.82
IP(EA), eV:	-8.47(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methylpyridazin-3-yl)methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations