Geometry & MOs

Info

ID:	228189
PubChem CID:	87563632
Reduced:	F3O5N15C48H54 (1)
Stoich.:	A3B5C15D48E54 (1)
Weight, g/mol:	222.113329
ΔH_f, kcal/mol:	-207.16
Dipole, Da:	9.02
IP(EA), eV:	-8.71(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-diethoxyphosphorylethylideneamino)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2F)NC(=O)NCC3=CN=C(C=C3)N)F)C(=O)NCCN4CCCCC4.CCNC1=NC(=NC=C1C(=O)O)C2=CC(=C(C=C2)NC(=O)NCC3=CN=C(C=C3)N)F

DOS

IR

Vibrations