Geometry & MOs

Info

ID:	2171
PubChem CID:	6095
Reduced:	O2N8C19H22 (1)
Stoich.:	A2B8C19D22 (1)
Weight, g/mol:	394.186572
ΔH_f, kcal/mol:	20.8
Dipole, Da:	5.09
IP(EA), eV:	-9.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-diamino-N-(2-morpholin-4-ylethyl)-2-phenylpteridine-6-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C2=NC3=C(N=C(N=C3N=C2N)C4=CC=CC=C4)N

DOS

IR

Vibrations