Geometry & MOs

Info

ID:	444958
PubChem CID:	135264049
Reduced:	NO5C30H31 (1)
Stoich.:	AB5C30D31 (1)
Weight, g/mol:	479.253255
ΔH_f, kcal/mol:	-165.89
Dipole, Da:	7.94
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[1-(1-ethyl-4-methylbenzotriazol-5-yl)-3-methoxy-3-oxopropyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)[C@@H](CC(=O)O)C4=CC5=C(C=C4C)OCCO5)C

DOS

IR

Vibrations