Geometry & MOs

Info

ID:	376019
PubChem CID:	134222019
Reduced:	NOC30H37 (1)
Stoich.:	ABC30D37 (1)
Weight, g/mol:	496.104451
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	0.57
IP(EA), eV:	-8.17(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2-chloro-4-[(E)-4-[3-chloro-4-(methylaminomethyl)phenyl]-1,1,1-trifluorobut-3-en-2-yl]-6-methylphenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCCN3CC4=CC=CC=C4)C)C(C)OC(C)(C)C

DOS

IR

Vibrations