Geometry & MOs

Info

ID:	435050
PubChem CID:	135178846
Reduced:	N4F9H13C36 (1)
Stoich.:	A4B9C13D36 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-203.97
Dipole, Da:	9.41
IP(EA), eV:	-9.91(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[3-carbamoyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CC(=CC(=C3)F)C(F)(F)F)C(=NC#N)C4=CC5=C(C=C24)C6=C(C5=NC#N)C=C(C=C6)C7=CC(=C(C(=C7)F)F)C(F)(F)F

DOS

IR

Vibrations