Geometry & MOs

Info

ID:	321470
PubChem CID:	126666101
Reduced:	ClN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	451.129884
ΔH_f, kcal/mol:	-40.28
Dipole, Da:	3.61
IP(EA), eV:	-9.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-(4-chlorophenyl)ethyl]-3-cyclopropyl-7-(2,5-dimethoxyphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)C(=O)NC)OC)C(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations