Geometry & MOs

Info

ID:	65604
PubChem CID:	46386668
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	5.34
IP(EA), eV:	-8.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-acetylanilino)-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=C(N(C2=N1)C3=CC=CC=C3)C)C)NC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations