Geometry & MOs

Info

ID:	184854
PubChem CID:	77221213
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	534.219095
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	2.48
IP(EA), eV:	-9.43(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(1H-benzimidazole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4,6-difluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)OC(=O)N

DOS

IR

Vibrations