Geometry & MOs

Info

ID:	186677
PubChem CID:	77466372
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	387.204573
ΔH_f, kcal/mol:	-52.88
Dipole, Da:	2.84
IP(EA), eV:	-8.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]butan-2-amine

Drug info:

PubChemData

Smile

CC1CCCN1C2=NC3=C(C=CC(=C3)C(=O)OC)N=C2C4COC=C4

DOS

IR

Vibrations