Geometry & MOs

Info

ID:	178959
PubChem CID:	76407894
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	373.135031
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	7.88
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-(1H-imidazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3CN(CC3OC2=O)C4=C(C=C5CCCC5=N4)C(=O)N

DOS

IR

Vibrations