Geometry & MOs

Info

ID:	220291
PubChem CID:	85177263
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	1.89
IP(EA), eV:	-8.96(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-(2-propan-2-ylpyrrol-1-yl)propan-1-ol

Drug info:

PubChemData

Smile

C=C1CN(C2C1C(CCC2)O)CC3=CC=CC=C3

DOS

IR

Vibrations