Geometry & MOs

Info

ID:	305199
PubChem CID:	124767515
Reduced:	N2O3C30H30 (1)
Stoich.:	A2B3C30D30 (1)
Weight, g/mol:	374.143056
ΔH_f, kcal/mol:	-54.79
Dipole, Da:	7.95
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@H]3[C@H]5CC[C@H]4C5)C6=CC=CC=C6

DOS

IR

Vibrations