Geometry & MOs

Info

ID:	445613
PubChem CID:	135268537
Reduced:	BrNC9H14 (1)
Stoich.:	ABC9D14 (1)
Weight, g/mol:	478.156495
ΔH_f, kcal/mol:	21.65
Dipole, Da:	4.0
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-nitrosomethyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN(C)CC1CC=C(C=C1)Br

DOS

IR

Vibrations