Geometry & MOs

Info

ID:	314042
PubChem CID:	126619901
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	300.204907
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	3.5
IP(EA), eV:	-9.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C(C)C)C(=O)N2CC(CC2C(=O)NCC3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations