Geometry & MOs

Info

ID:	404395
PubChem CID:	135066155
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	4.51
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(7-ethyl-1-pyrimidin-2-ylindol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OCCCCN1C=NC2=C1N=CN(C2=N)O

DOS

IR

Vibrations