Geometry & MOs

Info

ID:	446335
PubChem CID:	135274183
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	3.72
IP(EA), eV:	-9.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-6-[(3S)-3-methylpyrrolidine-1-carbonyl]chromen-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=O)C2=C(O1)C=C(C=C2)C#C

DOS

IR

Vibrations