Geometry & MOs

Info

ID:	153223
PubChem CID:	56312384
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	5.32
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-cyanoindolizin-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)CC3=NN=C(O3)C4=CC=C(C=C4)C

DOS

IR

Vibrations