Geometry & MOs

Info

ID:	82315
PubChem CID:	49855883
Reduced:	BrOF2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	464.17723
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	7.04
IP(EA), eV:	-9.43(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-amino-2-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-methylimidazol-2-yl]phenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(F)F)C)C2(N=C(C(=N2)N)C)C3=CC(=CC=C3)Br

DOS

IR

Vibrations