Geometry & MOs

Info

ID:	186320
PubChem CID:	77420552
Reduced:	BrN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-109.09
Dipole, Da:	8.54
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(7-benzyl-3,3-dimethyl-1-oxo-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c][1,3]oxazin-4-yl)phenyl]-2-(methylamino)acetamide

Drug info:

PubChemData

Smile

CC1(C(C2CCC(N2C(=O)O1)C(C3=CC=CC=C3)O)C4=CC(=C(C=C4)N)Br)C

DOS

IR

Vibrations