Geometry & MOs

Info

ID:	305216
PubChem CID:	124767601
Reduced:	N2O6C29H30 (1)
Stoich.:	A2B6C29D30 (1)
Weight, g/mol:	435.05824
ΔH_f, kcal/mol:	-192.23
Dipole, Da:	0.81
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,10bR)-9-bromo-2-(4-methoxyphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

CC1=C[C@H](C[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC(=C3)COC)[C@H]4CC(=O)N(C4=O)C5=CC=CC(=C5)COC

DOS

IR

Vibrations