Geometry & MOs

Info

ID:	375901
PubChem CID:	134221897
Reduced:	NC22H23 (1)
Stoich.:	AB22C23 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	150.16
Dipole, Da:	5.19
IP(EA), eV:	-7.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3-[(E)-4-(3,4-dimethylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-5-methylphenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2)C(=C1CC=C)C3=CC4=C5C4(CC5=C3C)C

DOS

IR

Vibrations