Geometry & MOs

Info

ID:	250035
PubChem CID:	103093729
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-100.57
Dipole, Da:	3.86
IP(EA), eV:	-8.4(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1-ethylpyrrol-2-yl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC(=C(C(=C1)OC)OC)OC)/C

DOS

IR

Vibrations