Geometry & MOs

Info

ID:	38343
PubChem CID:	8031186
Reduced:	NO3C21H22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	14.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905784
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5,6-bis(furan-2-yl)furo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)OC1

DOS

IR

Vibrations