Geometry & MOs

Info

ID:	375931
PubChem CID:	134221927
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	446.107645
ΔH_f, kcal/mol:	-113.25
Dipole, Da:	8.95
IP(EA), eV:	-8.52(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2,3-dichloro-5-[(E)-4-[3-fluoro-4-(methylaminomethyl)phenyl]but-3-en-2-yl]phenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2)C(=C1CC(=O)O)C3=C(C4=C(C=C3)OCCC4)C

DOS

IR

Vibrations