Geometry & MOs

Info

ID:	288476
PubChem CID:	104317119
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	2.55
IP(EA), eV:	-8.2(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylpyrrolidin-2-yl)methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NCCC(C)O)C

DOS

IR

Vibrations