Geometry & MOs

Info

ID:	418391
PubChem CID:	135104498
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	4.52
IP(EA), eV:	-8.91(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=CC(=C3)CN(C)C

DOS

IR

Vibrations