Geometry & MOs

Info

ID:	21827
PubChem CID:	591733
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-45.26
Dipole, Da:	2.07
IP(EA), eV:	-8.56(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4,5-trimethoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN2CC3=C(C2)N=C(N=C3N)N

DOS

IR

Vibrations