Geometry & MOs

Info

ID:	152008
PubChem CID:	56310849
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	1.97
IP(EA), eV:	-8.36(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CCOC3=CC=CC=C3OC

DOS

IR

Vibrations