Geometry & MOs

Info

ID:	448187
PubChem CID:	135289089
Reduced:	FON7C38H40 (1)
Stoich.:	ABC7D38E40 (1)
Weight, g/mol:	581.113378
ΔH_f, kcal/mol:	86.12
Dipole, Da:	7.41
IP(EA), eV:	-8.38(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenyl-N-quinolin-5-ylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)OCCN8CCCC8

DOS

IR

Vibrations