Geometry & MOs

Info

ID:	178893
PubChem CID:	76397423
Reduced:	O2F3N3C14H16 (1)
Stoich.:	A2B3C3D14E16 (1)
Weight, g/mol:	385.01744
ΔH_f, kcal/mol:	-233.13
Dipole, Da:	3.54
IP(EA), eV:	-8.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1-(4-oxo-4aH-quinazolin-2-yl)guanidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2C(=O)CC(N(C2=O)C)C(F)(F)F)N

DOS

IR

Vibrations