Geometry & MOs

Info

ID:	166731
PubChem CID:	74726040
Reduced:	Cl2N2O4H19C25 (1)
Stoich.:	A2B2C4D19E25 (1)
Weight, g/mol:	489.166176
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768755
Charge, e:	-1

Chem-info

IUPAC name:

2,3-dimethoxy-6-[7-methoxy-2-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=C(C=C(C=C4)Cl)Cl)[O-])OC

DOS

IR

Vibrations