Geometry & MOs

Info

ID:	250022
PubChem CID:	103093603
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-0.85
Dipole, Da:	6.6
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,3-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC(=C(C=C1)Cl)[N+](=O)[O-])/C

DOS

IR

Vibrations