Geometry & MOs

Info

ID:	244579
PubChem CID:	99368068
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-74.39
Dipole, Da:	6.57
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxyphenyl)methyl]-3-methyl-6-phenyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)C

DOS

IR

Vibrations