Geometry & MOs

Info

ID:	287919
PubChem CID:	104298830
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	4.04
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-(3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2COCCO2)C#CCN

DOS

IR

Vibrations