Geometry & MOs

Info

ID:	418417
PubChem CID:	135104645
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-94.62
Dipole, Da:	4.44
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN(C)CCC2=NC3=C(N2)C=C(C=C3)OC

DOS

IR

Vibrations