Geometry & MOs

Info

ID:	151897
PubChem CID:	56310721
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-50.69
Dipole, Da:	2.7
IP(EA), eV:	-8.35(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylbenzimidazol-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)CCC3=CC=CS3

DOS

IR

Vibrations