Geometry & MOs

Info

ID:	308230
PubChem CID:	125323878
Reduced:	BrFN2O3H18C27 (1)
Stoich.:	ABC2D3E18F27 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-40.89
Dipole, Da:	4.95
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylcarbamoyl]phenyl]-2,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H]4[C@H]3C(=O)N(C4=O)C5=CC=C(C=C5)F)C(=O)C6=CC=C(C=C6)Br

DOS

IR

Vibrations