Geometry & MOs

Info

ID:	412089
PubChem CID:	135084955
Reduced:	OPdN2C24H28 (1)
Stoich.:	ABC2D24E28 (1)
Weight, g/mol:	183.162314
ΔH_f, kcal/mol:	82.84
Dipole, Da:	4.51
IP(EA), eV:	-7.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-propan-2-yl-2,3-dihydropyrrol-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)N1[CH-]C(C=C1)CC(C)(C)O.C1=C[C-]=C2C(=C1)C=CC3=C2N=CC=C3.[Pd+2]

DOS

IR

Vibrations