Geometry & MOs

Info

ID:	419358
PubChem CID:	135108034
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-61.73
Dipole, Da:	6.27
IP(EA), eV:	-9.22(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations