Geometry & MOs

Info

ID:	417791
PubChem CID:	135102770
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	35.75
Dipole, Da:	5.32
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-7-carbonyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCCNC(=O)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations