Geometry & MOs

Info

ID:	187358
PubChem CID:	77563179
Reduced:	ClN3O6C28H34 (1)
Stoich.:	AB3C6D28E34 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-255.72
Dipole, Da:	6.71
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[8a-(hydroxymethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(C)NC(=O)C1=CC=CC(=C1)C(=O)NCC(=O)O)C(=O)N2CCC(C(C2)(C)C)(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations