Geometry & MOs

Info

ID:	187539
PubChem CID:	77586721
Reduced:	O4N5C34H39 (1)
Stoich.:	A4B5C34D39 (1)
Weight, g/mol:	463.171891
ΔH_f, kcal/mol:	-82.95
Dipole, Da:	6.16
IP(EA), eV:	-8.81(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-[[6-(4-propoxyphenyl)pyrimidin-4-yl]amino]ethanol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)N2C=NC(=C2C3=CC=CC=C3)C(=O)N4CCNCC4CC5=CC=CC=C5)(CC(=O)NCC6=CC=CO6)O

DOS

IR

Vibrations