Geometry & MOs

Info

ID:	249731
PubChem CID:	103091666
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	7.09
IP(EA), eV:	-9.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C\C1=CC(=C(C(=C1)Cl)OCC(=O)N)OC)/C)N

DOS

IR

Vibrations