Geometry & MOs

Info

ID:	421241
PubChem CID:	135115637
Reduced:	N4O4C31H48 (1)
Stoich.:	A4B4C31D48 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	6.74
IP(EA), eV:	-8.95(0.08)
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]-(5-methyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)COCC3=CC=CC=C3)CC=C(C)C

DOS

IR

Vibrations