Geometry & MOs

Info

ID:	329754
PubChem CID:	127246621
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	64.47
Dipole, Da:	9.76
IP(EA), eV:	-9.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]chromen-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CN=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations