Geometry & MOs

Info

ID:	275558
PubChem CID:	103816592
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	172.121178
ΔH_f, kcal/mol:	-76.39
Dipole, Da:	7.91
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-aminopyrrolidin-1-yl]-2-methoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CC[C@@H](C2)N

DOS

IR

Vibrations