Geometry & MOs

Info

ID:	133003
PubChem CID:	51460487
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	424.074533
ΔH_f, kcal/mol:	-135.07
Dipole, Da:	2.65
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,10bR)-2,5-bis(4-chlorophenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

Drug info:

PubChemData

Smile

C/C(=C/C(=O)NCCC1=CC=C(C=C1)OC)/NNC(=O)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations