Geometry & MOs

Info

ID:	304134
PubChem CID:	124496663
Reduced:	N3O3C28H37 (1)
Stoich.:	A3B3C28D37 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-116.88
Dipole, Da:	4.61
IP(EA), eV:	-9.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl]-N-phenylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1CCCCC1)C2=NC=C(C=C2)[C@@H]3CCCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations