Geometry & MOs

Info

ID:	153640
PubChem CID:	56312916
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	464.0484
ΔH_f, kcal/mol:	-145.98
Dipole, Da:	5.67
IP(EA), eV:	-9.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations