Geometry & MOs

Info

ID:	198850
PubChem CID:	79161487
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	4.76
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)NC1=C(C=C(C=C1)C#CCO)C

DOS

IR

Vibrations