Geometry & MOs

Info

ID:	150981
PubChem CID:	53790678
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	452.218857
ΔH_f, kcal/mol:	-52.42
Dipole, Da:	9.47
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-2-(3,3-dimethoxybutan-2-yl)-3-[3-(5-formyl-4-methoxy-2-methylphenyl)-3-phosphanyloxybutan-2-yl]guanidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)(C(C)N2C(=C(N=C2NC#N)C)C)O)C=O)OC

DOS

IR

Vibrations