Geometry & MOs

Info

ID:	43635
PubChem CID:	10321574
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	451.200825
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	6.7
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)O)NC1=NC=NC(=C1)C2=CC=C(C=C2)OCC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations