Geometry & MOs

Info

ID:	420716
PubChem CID:	135114696
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	374.176106
ΔH_f, kcal/mol:	-133.97
Dipole, Da:	5.13
IP(EA), eV:	-9.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methyl-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)C(=O)C3=CC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations