Geometry & MOs

Info

ID:	151792
PubChem CID:	56310594
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	6.49
IP(EA), eV:	-8.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CCOC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations