Geometry & MOs

Info

ID:	439294
PubChem CID:	135229062
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-97.11
Dipole, Da:	5.44
IP(EA), eV:	-8.52(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-amino-2-[3-(4-methoxyphenyl)propoxy]prop-1-enyl]methanimidamide

Drug info:

PubChemData

Smile

CCCCC(CCO)NC1=NC(=NC=C1OCCCC2=CC=C(C=C2)OC)N

DOS

IR

Vibrations