Geometry & MOs

Info

ID:	43321
PubChem CID:	10321121
Reduced:	N4O4H22C25 (1)
Stoich.:	A4B4C22D25 (1)
Weight, g/mol:	442.198046
ΔH_f, kcal/mol:	-9.09
Dipole, Da:	2.83
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

COC(=O)[C@H]([C@H](C(=O)OC)N=[N+]=[N-])NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4

DOS

IR

Vibrations