Geometry & MOs

Info

ID:	121147
PubChem CID:	50757302
Reduced:	ON2H11C13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	20.27
Dipole, Da:	6.37
IP(EA), eV:	-8.59(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylethyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3C4=C(C=CC=N4)N5C=CC=C5C3=O)C

DOS

IR

Vibrations