Geometry & MOs

Info

ID:	445644
PubChem CID:	135268750
Reduced:	ClN4C27H41 (1)
Stoich.:	AB4C27D41 (1)
Weight, g/mol:	478.218032
ΔH_f, kcal/mol:	27.49
Dipole, Da:	4.58
IP(EA), eV:	-7.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-3-methyl-2-(2-methylprop-2-enylideneamino)but-2-en-1-ol

Drug info:

PubChemData

Smile

CCCN(C)C(=C)C1=C(NC(N1CC2=CC=C(C=C2)Cl)CCC3CCCCC3)N(C)C=C

DOS

IR

Vibrations