Geometry & MOs

Info

ID:	186319
PubChem CID:	77420288
Reduced:	N5H21C23 (1)
Stoich.:	A5B21C23 (1)
Weight, g/mol:	444.10486
ΔH_f, kcal/mol:	131.86
Dipole, Da:	0.69
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-3-bromophenyl)-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c][1,3]oxazin-1-one

Drug info:

PubChemData

Smile

C1C2C1NC(C2)C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=CN6

DOS

IR

Vibrations