Geometry & MOs

Info

ID:	38326
PubChem CID:	8030477
Reduced:	N5C18H25 (1)
Stoich.:	A5B18C25 (1)
Weight, g/mol:	310.203171
ΔH_f, kcal/mol:	115.26
Dipole, Da:	13.99
IP(EA), eV:	-5.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-(dimethylamino)ethyl]-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=[N+](C=N2)CC[NH+](C)C)N)C3=CC=CC=C3)C

DOS

IR

Vibrations