Geometry & MOs

Info

ID:	309943
PubChem CID:	126569024
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	457.268905
ΔH_f, kcal/mol:	-256.75
Dipole, Da:	4.41
IP(EA), eV:	-10.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-2,3,7,8a-tetrahydro-1H-pteridin-2-yl)amino]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCC(CCOC(=O)C(=C)C)C(=O)O

DOS

IR

Vibrations