Geometry & MOs

Info

ID:	421374
PubChem CID:	135115887
Reduced:	ON3C11H15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	3.24
IP(EA), eV:	-8.68(-0.72)
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]-(1-ethyl-5-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C(C(C)C)N2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations