Geometry & MOs

Info

ID:	198461
PubChem CID:	79104453
Reduced:	N3C16H27 (1)
Stoich.:	A3B16C27 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	28.03
Dipole, Da:	4.65
IP(EA), eV:	-8.6(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]acetate

Drug info:

PubChemData

Smile

CCNC(C1CC1)C2=CN(C=C2)CCN3CCCC3

DOS

IR

Vibrations