Geometry & MOs

Info

ID:	314970
PubChem CID:	126624058
Reduced:	BrINO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	509.217538
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	4.12
IP(EA), eV:	-9.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(6-methylpyridin-2-yl)carbamoyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)I)N(C)C(=O)O

DOS

IR

Vibrations