Geometry & MOs

Info

ID:	55974
PubChem CID:	17398031
Reduced:	FO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	2.92
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

DOS

IR

Vibrations