Geometry & MOs

Info

ID:	186042
PubChem CID:	77383225
Reduced:	N3O6C16H25 (1)
Stoich.:	A3B6C16D25 (1)
Weight, g/mol:	512.228437
ΔH_f, kcal/mol:	-256.13
Dipole, Da:	2.4
IP(EA), eV:	-9.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-4-(methoxymethoxy)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7aH-imidazo[4,5-d]pyridazin-7-one

Drug info:

PubChemData

Smile

CC(C)(C)C1(C(=O)CN2N1C(=O)C(C2)NC(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations