Geometry & MOs

Info

ID:	419835
PubChem CID:	135109319
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	2.15
IP(EA), eV:	-9.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)N2CCCN(CC2)C(=O)C3CC=CC3

DOS

IR

Vibrations