Geometry & MOs

Info

ID:	304128
PubChem CID:	124496321
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	3.94
IP(EA), eV:	-9.03(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2S)-1-acetylpyrrolidin-2-yl]pyridin-2-yl]-N-cyclopropylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1CC1)C2=NC=C(C=C2)[C@@H]3CCCCN3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations