Geometry & MOs

Info

ID:	18906
PubChem CID:	550847
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	4.26
IP(EA), eV:	-9.01(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC#CCN1CCCC1

DOS

IR

Vibrations