Geometry & MOs

Info

ID:	349099
PubChem CID:	127274825
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	7.36
Dipole, Da:	2.71
IP(EA), eV:	-8.57(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2CCCN(C2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations