Geometry & MOs

Info

ID:	328776
PubChem CID:	126727686
Reduced:	ISN4O13C35H53 (1)
Stoich.:	ABC4D13E35F53 (1)
Weight, g/mol:	349.240565
ΔH_f, kcal/mol:	-494.48
Dipole, Da:	6.55
IP(EA), eV:	-8.19(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-butoxy-4-ethyl-2-[3-(3-methylphenyl)prop-1-en-2-yl]phenyl]ethanimine

Drug info:

PubChemData

Smile

C/C(=C\CC/C(=C/CSN(C)I)/C)/CC/C(=N/OCCOCCOCCNC(=O)C1=C(C=CC(=C1)COC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C

DOS

IR

Vibrations