Geometry & MOs

Info

ID:	15969
PubChem CID:	456608
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	3.86
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-carbamimidoyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzenecarboximidamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=N)N)OCC=CCOC2=C(C=C(C=C2)C(=N)N)OC

DOS

IR

Vibrations