Geometry & MOs

Info

ID:	147603
PubChem CID:	53787259
Reduced:	O2N5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	347.222546
ΔH_f, kcal/mol:	9.26
Dipole, Da:	4.37
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(dimethylamino)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]hex-2-enoate

Drug info:

PubChemData

Smile

CN(C(=O)C1=CC2=C(N1)C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=N)N

DOS

IR

Vibrations