Geometry & MOs

Info

ID:	304124
PubChem CID:	124495960
Reduced:	O2N3C22H37 (1)
Stoich.:	A2B3C22D37 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	3.96
IP(EA), eV:	-8.72(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2R)-1-acetylpyrrolidin-2-yl]pyridin-2-yl]-N-butylcarbamate

Drug info:

PubChemData

Smile

CCCCN(C1=NC=C(C=C1)[C@H]2CCCN2CC(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations