Geometry & MOs

Info

ID:	422372
PubChem CID:	135117707
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	3.68
IP(EA), eV:	-9.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1[C@@H]2CC[C@H]1[C@@](C2)(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations