Geometry & MOs

Info

ID:	353083
PubChem CID:	127284240
Reduced:	O4N5C14H19 (1)
Stoich.:	A4B5C14D19 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-121.42
Dipole, Da:	6.2
IP(EA), eV:	-10.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)CCN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations