Geometry & MOs

Info

ID:	264513
PubChem CID:	103465969
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	287.166748
ΔH_f, kcal/mol:	-3.2
Dipole, Da:	1.48
IP(EA), eV:	-9.33(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylbutyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

COCC1(CC1CN)C2=CC=CC=C2

DOS

IR

Vibrations