Geometry & MOs

Info

ID:	16974
PubChem CID:	481453
Reduced:	ON6C22H22 (1)
Stoich.:	AB6C22D22 (1)
Weight, g/mol:	386.185509
ΔH_f, kcal/mol:	70.21
Dipole, Da:	4.8
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(9-ethylcarbazol-3-yl)-methylamino]methyl]furo[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)N(C)CC3=COC4=NC(=NC(=C34)N)N)C5=CC=CC=C51

DOS

IR

Vibrations