Geometry & MOs

Info

ID:	423196
PubChem CID:	135119077
Reduced:	ON7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	24.06
Dipole, Da:	2.9
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)N2CCC(CC2)C3=NC(=NN3)N

DOS

IR

Vibrations