Geometry & MOs

Info

ID:	439163
PubChem CID:	135228928
Reduced:	N3O4C31H39 (1)
Stoich.:	A3B4C31D39 (1)
Weight, g/mol:	216.091531
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	7.5
IP(EA), eV:	-7.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxy-[2-(4-methylidenecyclohexyl)-2-oxoethyl]phosphinous acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(CC3C2=CC1=O)OC)C4=CN=C(C(=C4)C)NCC5CC5)C(C)(C)C

DOS

IR

Vibrations