Geometry & MOs

Info

ID:	417307
PubChem CID:	135091983
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	4.03
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations