Geometry & MOs

Info

ID:	206004
PubChem CID:	80187729
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	12.15
Dipole, Da:	1.33
IP(EA), eV:	-8.83(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-3-(3,3-dimethylpyrrolidin-1-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1(CCN(C1)CC2=NC=C(C=C2)CN)C

DOS

IR

Vibrations