Geometry & MOs

Info

ID:	228113
PubChem CID:	87563473
Reduced:	BrN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	128.094963
ΔH_f, kcal/mol:	-5.85
Dipole, Da:	4.45
IP(EA), eV:	-8.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-pyrrolidin-1-ylacetaldehyde

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O)Br

DOS

IR

Vibrations