Geometry & MOs

Info

ID:	177724
PubChem CID:	76220957
Reduced:	N3C9H17 (1)
Stoich.:	A3B9C17 (1)
Weight, g/mol:	181.157898
ΔH_f, kcal/mol:	4.48
Dipole, Da:	6.21
IP(EA), eV:	-8.27(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(CN)N

DOS

IR

Vibrations