Geometry & MOs

Info

ID:	418634
PubChem CID:	135106477
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-60.36
Dipole, Da:	6.5
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=C(C=CC=N3)C(=O)N4CCCCC4

DOS

IR

Vibrations