Geometry & MOs

Info

ID:	151463
PubChem CID:	53812408
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	27.73
Dipole, Da:	3.41
IP(EA), eV:	-7.85(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-8-phenyl-3a,4,5,8,9,10,10a,10b-octahydrothieno[2,3-a]quinolizin-7-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2N1CC=C(C)CCC=C(C)C)N

DOS

IR

Vibrations