Geometry & MOs

Info

ID:	198414
PubChem CID:	79098028
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	-25.92
Dipole, Da:	6.45
IP(EA), eV:	-9.02(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C=C1)CCCCC#N)O

DOS

IR

Vibrations