Geometry & MOs

Info

ID:	326611
PubChem CID:	126687882
Reduced:	N8O11C45H68 (1)
Stoich.:	A8B11C45D68 (1)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	-494.18
Dipole, Da:	4.95
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-propyl-3,4-dihydro-1,5-naphthyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC(=O)N(C)[C@H](CCO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)O)O)N

DOS

IR

Vibrations