Geometry & MOs

Info

ID:	198411
PubChem CID:	79097818
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	250.240899
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	3.76
IP(EA), eV:	-8.56(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-pentylpyrrol-3-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CN(C=C1)CC(=O)OC)C(C)C

DOS

IR

Vibrations